zerothi / sislLinks
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
☆210Updated 3 weeks ago
Alternatives and similar repositories for sisl
Users that are interested in sisl are comparing it to the libraries listed below
Sorting:
- A Python library for electronic structure pre/post-processing☆183Updated this week
- Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.☆139Updated 2 weeks ago
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆138Updated 4 months ago
- a python package for computing magnetic interaction parameters☆80Updated this week
- Advanced tool for Wannier interpolation and integration of k-space integrals☆105Updated last week
- Ab initio simulator for thermal transport and lattice anharmonicity☆173Updated this week
- Electronic transport properties from first-principles calculations☆153Updated last month
- A high-performance framework for solving phonon and electron Boltzmann equations☆106Updated last week
- BandUP: Band Unfolding code for Plane-wave based calculations☆100Updated 4 years ago
- The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.☆91Updated 3 months ago
- A simulation package of phonon-phonon interaction related properties☆142Updated this week
- ☆220Updated 5 years ago
- Visualise lattice vibrations☆98Updated 2 months ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆82Updated 5 years ago
- Open-source library for analyzing the results produced by ABINIT☆122Updated this week
- Effective Mass Calculator for Semiconductors☆109Updated 4 years ago
- 1D density functional theory code in Python☆135Updated 2 years ago
- A minimalistic atomic Density Functional Theory (DFT) code☆137Updated last week
- Fermi surface generation, analysis and visualisation.☆95Updated this week
- JDFTx: software for joint density functional theory☆92Updated 2 months ago
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆102Updated last year
- band plot using python matplotlib☆166Updated 9 months ago
- WannierTools: An open-source software package for novel topological materials. Full documentation:☆292Updated last month
- ☆67Updated 3 weeks ago
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆167Updated last week
- A library of ultrasoft and PAW pseudopotentials☆82Updated 2 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆48Updated 9 months ago
- ☆55Updated last year
- ab-initio nonadiabatic molecular dynamics program☆108Updated last year
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆80Updated 2 months ago